N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine

C42H28N2 — CID 170138928

IUPACN-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3ccccc3c3ccc4ccccc4c23)cc1
InChIInChI=1S/C42H28N2/c1-3-15-31(16-4-1)43(41-27-30-14-8-9-19-34(30)37-25-23-29-13-7-10-20-35(29)42(37)41)33-24-26-40-38(28-33)36-21-11-12-22-39(36)44(40)32-17-5-2-6-18-32/h1-28H
InChIKeyIDKSSCKMWSZOAR-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.71
Rot. Bonds4

About N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine

N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine (PubChem CID 170138928) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
PubChem CID170138928
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC NameN-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3ccccc3c3ccc4ccccc4c23)cc1
InChIInChI=1S/C42H28N2/c1-3-15-31(16-4-1)43(41-27-30-14-8-9-19-34(30)37-25-23-29-13-7-10-20-35(29)42(37)41)33-24-26-40-38(28-33)36-21-11-12-22-39(36)44(40)32-17-5-2-6-18-32/h1-28H
InChIKeyIDKSSCKMWSZOAR-UHFFFAOYSA-N
XLogP11.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
3-N-phenanthren-9-yl-1-N-phenyl-1-N,3-N-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 170410427
N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
CID 167182825
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 176588168
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933

Frequently Asked Questions

What is the IUPAC name of N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine (CID 170138928) is N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cc3ccccc3c3ccc4ccccc4c23)cc1.
What is the InChIKey of N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine?
The InChIKey is IDKSSCKMWSZOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-15-31(16-4-1)43(41-27-30-14-8-9-19-34(30)37-25-23-29-13-7-10-20-35(29)42(37)41)33-24-26-40-38(28-33)36-21-11-12-22-39(36)44(40)32-17-5-2-6-18-32/h1-28H.
What are the key properties of N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine?
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine has a molecular weight of 560.70 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 170138928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).